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DIETHYL_2-[(((3-(N-ACETYL)-AMINO)-3-(BISETHOXYCARBONYL)-PROPYL)-(ETHOXY)-PHOSPHINYL)]-BUTAN-1,4-DIOATE;ISOMER_1
SpectraBase Compound ID Ej44viSOmGK
InChI InChI=1S/C21H36NO11P/c1-7-29-17(24)14-16(18(25)30-8-2)34(28,33-11-5)13-12-21(22-15(6)23,19(26)31-9-3)20(27)32-10-4/h16H,7-14H2,1-6H3,(H,22,23)
InChIKey YNTOEJMADDOEIV-UHFFFAOYSA-N
Mol Weight 509.5 g/mol
Molecular Formula C21H36NO11P
Exact Mass 509.202598 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWVyk0R5VOj
Name DIETHYL_2-[(((3-(N-ACETYL)-AMINO)-3-(BISETHOXYCARBONYL)-PROPYL)-(ETHOXY)-PHOSPHINYL)]-BUTAN-1,4-DIOATE;ISOMER_1
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36NO11P
InChI InChI=1S/C21H36NO11P/c1-7-29-17(24)14-16(18(25)30-8-2)34(28,33-11-5)13-12-21(22-15(6)23,19(26)31-9-3)20(27)32-10-4/h16H,7-14H2,1-6H3,(H,22,23)
InChIKey YNTOEJMADDOEIV-UHFFFAOYSA-N
Literature Reference Author C.SELVAM,N.OUESLATI,I.A.LEMASSON,I.BRABER,D.RIGAULT,T.COURTI OL,S.CESARINI,N.TRIB
Literature Reference Citation J.MED.CHEM.,53,2797(2010)
Literature Reference DOI 10.1021/jm901523t
Solvent CD3OD
Source File Reference UWMZ46437